D727-0835 Screening compound: 3,5-dimethyl-1-phenyl-4-{2-[3-(thiophen-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl}-1H-pyrazole

D727-0835 Screening compound: 3,5-dimethyl-1-phenyl-4-{2-[3-(thiophen-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl}-1H-pyrazole
D727-0835 Screening compound: 3,5-dimethyl-1-phenyl-4-{2-[3-(thiophen-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl}-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D727-0835
3,5-dimethyl-1-phenyl-4-{2-[3-(thiophen-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl}-1H-pyrazole

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D727-0835

Molecular Formula

C20H18N6S2 (C20 H18 N6 S2)

Compound Name

3,5-dimethyl-1-phenyl-4-{2-[3-(thiophen-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl}-1H-pyrazole

IUPAC name

35-dimethyl-1-phenyl-4-{2-[3-(thiophen-2-yl)-[124]triazolo[34-b][134]thiadiazol-6-yl]ethyl}-1H-pyrazole

SMILES

Cc1c(CCc(s2)nn3c2nnc3-c2cccs2)c(C)nn1-c1ccccc1

InChI

InChI=1S/C20H18N6S2/c1-13-16(14(2)25(23-13)15-7-4-3-5-8-15)10-11-18-24-26-19(17-9-6-12-27-17)21-22-20(26)28-18/h3-9,12H,10-11H2,1-2H3

InChI Key

JQDZBOIHMNQBTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09847426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.912

Distribution Coefficient, logD

3.912

Water Solubility, LogSw

-4.12

Polar Surface Area

49.653

Acid Dissociation Constant (pKa)

22.00

Base Dissociation Constant (pKb)

3.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D727-0835 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with D727-0835 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D727-0835?
Check Price and Availability of D727-0835, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D727-0835 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D727-0835
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D727-0835
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D727-0835 available by request